3,5-bis(azanyl)-2,4,6-trimethyl-benzenesulfonate

Systemtic Name: 3,5-bis(azanyl)-2,4,6-trimethyl-benzenesulfonate Openeye Name: 3,5-diamino-2,4,6-trimethyl-benzenesulfonate CAS Name: 3,5-diamino-2,4,6-trimethylbenzenesulfonate IUPAC Name: 3,5-diamino-2,4,6-trimethylbenzenesulfonate Traditional Name: 3,5-diamino-2,4,6-trimethyl-besylate Formula: C9H13N2O3S- MolecularWeight: 229.27612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C)S(=O)(=O)[O-])C)N

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C)S(=O)(=O)[O-])C)N

InChI

InChI=1S/C9H14N2O3S/c1-4-7(10)5(2)9(15(12,13)14)6(3)8(4)11/h10-11H2,1-3H3,(H,12,13,14)/p-1